[3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]benzenesulfonate

Systemtic Name: [3-[(2-carbamimidoyl-1,2-oxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]benzenesulfonate Openeye Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methyl-phenyl] 2-[2-cyanoethyl(2-furylmethyl)sulfamoyl]benzenesulfonate CAS Name: 2-[2-cyanoethyl(2-furanylmethyl)sulfamoyl]benzenesulfonic acid [3-[(2-carbamimidoyl-5-oxazinanyl)methoxy]-5-methylphenyl] ester IUPAC Name: [3-[(2-carbamimidoyloxazinan-5-yl)methoxy]-5-methylphenyl] 2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[2-cyanoethyl(2-furfuryl)sulfamoyl]benzenesulfonic acid [3-[(2-amidinooxazinan-5-yl)methoxy]-5-methyl-phenyl] ester Formula: C27H31N5O8S2 MolecularWeight: 617.69374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(CCC#N)CC3=CC=CO3)OCC4CCN(OC4)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(CCC#N)CC3=CC=CO3)OCC4CCN(OC4)C(=N)N

InChI

InChI=1S/C27H31N5O8S2/c1-20-14-23(38-18-21-9-12-32(27(29)30)39-19-21)16-24(15-20)40-42(35,36)26-8-3-2-7-25(26)41(33,34)31(11-5-10-28)17-22-6-4-13-37-22/h2-4,6-8,13-16,21H,5,9,11-12,17-19H2,1H3,(H3,29,30)